2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine

C12H16ClNO — CID 79168865

IUPAC2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
SMILESCc1ccc(OCCC2CC2)c(CCl)n1
InChIInChI=1S/C12H16ClNO/c1-9-2-5-12(11(8-13)14-9)15-7-6-10-3-4-10/h2,5,10H,3-4,6-8H2,1H3
InChIKeyOJRMXICMGAPJDT-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.31
Rot. Bonds5

About 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine

2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine (PubChem CID 79168865) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
PubChem CID79168865
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine
SMILESCc1ccc(OCCC2CC2)c(CCl)n1
InChIInChI=1S/C12H16ClNO/c1-9-2-5-12(11(8-13)14-9)15-7-6-10-3-4-10/h2,5,10H,3-4,6-8H2,1H3
InChIKeyOJRMXICMGAPJDT-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[3-(2-cyclopropylethoxy)-6-methyl-2-pyridinyl]methanol
CID 79156315
2-(chloromethyl)-3-(3-ethoxypropoxy)-6-methylpyridine
CID 79169037
2-(chloromethyl)-6-methyl-3-(2-propoxyethoxy)pyridine
CID 106454021
2-(chloromethyl)-6-methyl-3-(2-phenoxyethoxy)pyridine
CID 79168619
2-(chloromethyl)-6-methyl-3-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106454022
3-(6-chlorohexoxy)-2-ethyl-6-methylpyridine
CID 103174559
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
CID 116522398
5-[[2-(chloromethyl)-6-methyl-3-pyridinyl]oxymethyl]-1,3-thiazole
CID 112641160
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methoxy]-6-methylpyridine
CID 79169539
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
3-(5-chloro-3-methylpentoxy)-2-ethyl-6-methylpyridine
CID 103174565
4-[(2-ethyl-6-methyl-3-pyridinyl)oxy]butan-1-ol
CID 103175334

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine?
The IUPAC name of 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine (CID 79168865) is 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine?
The canonical SMILES for 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine is Cc1ccc(OCCC2CC2)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine?
The InChIKey is OJRMXICMGAPJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9-2-5-12(11(8-13)14-9)15-7-6-10-3-4-10/h2,5,10H,3-4,6-8H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine?
2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine has a molecular weight of 225.72 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2-cyclopropylethoxy)-6-methylpyridine is sourced from PubChem (CID 79168865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).